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CHEBI:219680 - Toblerol D

ChEBI IDCHEBI:219680
ChEBI NameToblerol D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H20O5
Net Charge0
Average Mass244.287
Monoisotopic Mass244.13107
SMILESCCC[C@@H](O)[C@@H]1O[C@H]1C(O)[C@@H]1C[C@H](C)C(=O)O1
InChIInChI=1S/C12H20O5/c1-3-4-7(13)10-11(17-10)9(14)8-5-6(2)12(15)16-8/h6-11,13-14H,3-5H2,1-2H3/t6-,7+,8-,9?,10-,11-/m0/s1
InChIKeyITUYXJWTHLWHML-JTFCSMHISA-N
Species of MetaboliteComponentSourceComments
Methylorubrum extorquens AM1 (ncbitaxon:272630) - PubMed (29112783)
ChEBI Ontology
Outgoing Relation(s)
Toblerol D (CHEBI:219680) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(3S,5S)-5-[hydroxy-[(2S,3S)-3-[(1R)-1-hydroxybutyl]oxiran-2-yl]methyl]-3-methyloxolan-2-one
Manual XrefsDatabases
78443352ChemSpider